orbital_charges     :real:2:4,3
  0.191560828882506E+001  0.148599505254919E+001  0.152968337677283E+001
  0.200000000000000E+001  0.297198368454234E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.771514913398683E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.121552546869349E+000  0.110832987489911E+000  0.158089937688414E-002
 -0.605259219974696E+000  0.195224304132058E+000 -0.324070914305714E+000
 -0.387489521378091E-001 -0.865304660687161E-001  0.704602241193360E-001
forces_ext_charges  :real:2:3,5
  0.202386607411501E-003 -0.340226782944426E-003 -0.781425281172582E-003
  0.293243116434892E-003  0.200166709142479E-002  0.712604877146759E-003
  0.405034854127154E+000 -0.294051327748171E+000  0.220192102289592E+000
  0.811028544600641E-001  0.525693914180135E-001  0.175025844019355E-001
  0.358222869320916E-001  0.202936704684254E-001  0.144039245219919E-001
mermin_energy       :real:0:
 -0.416651718153112E+001
end_coords          :real:2:3,3
  0.000000000000000E+000 -0.188972598857892E+001  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.147977639152057E+001
  0.000000000000000E+000  0.000000000000000E+000 -0.147977639152057E+001
